Mirabijalone A

Properties Image MNX_ID MNXM1131061 reference lipidmapsM:LMPK12060082 formula C19H18O7 global charge 0 mol weight 358.346 InChIKey QJXFVFPOYZLTLU-FKWGRNQDSA-N InChI InChI=1S/C19H18O7/c1-8-14(21)13-16(9(2)15(8)24-3)26-12-7-25-17-10(5-4-6-11(17)20)19(12,23)18(13)22/h4-6,12,20-21,23H,7H2,1-3H3/t12?,19-/m1/s1 SMILES COC1=C(C)C2=C(C(=O)[C@@]3(O)C4=CC=CC(O)=C4OCC3O2)C(O)=C1C MNX internals InChI (mnx) InChI=1/C19H18O7/c1-8-14(21)13-16(9(2)15(8)24-3)26-12-7-25-17-10(5-4-6-11(17)20)19(12,23)18(13)22/h4-6,12,20-21,23H,7H2,1-3H3/t12?,19-/m1/s1 SMILES (mnx) [CH3:1][C:8]1=[C:15]([O:24][CH3:3])[C:9]([CH3:2])=[C:16]2[C:13](=[C:14]1[OH:21])[C:18](=[O:22])[C@@:19]1([OH:23])[C:10]3=[C:17]([C:11]([OH:20])=[CH:6][CH:4]=[CH:5]3)[O:25][CH2:7][CH:12]1[O:26]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0